Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.50 |
| ▸ | HTR2C | P28335 | 8/20 | 0.50 |
| ▸ | HTR2B | P41595 | 6/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9529226 | 0.88 | HTR2A (0.49) | HTR2AHTR2CHTR2BADRB1HTR1A | |
| SCHEMBL10513388 | 0.82 | DRD2 (0.48) | HTR2AHTR2CADRB1GAAMAPT | |
| Bromide SCHEMBL9529700 | 0.81 | DRD2 (0.47) | HTR2AHTR2CADRB1GAAMAPT | |
| SCHEMBL9531086 | 0.80 | HTR2A (0.52) | HTR2AHTR2CHTR2BHRH1GRIN2D | |
| SCHEMBL330217 | 0.78 | PRCP (0.62) | HTR2AHRH1PRCPOPRM1OPRK1 | |
| Bromide SCHEMBL9531808 | 0.75 | KDM1A (0.47) | ADRB1GAAMAPT | |
| SCHEMBL1010489 | 0.74 | HTR2A (0.63) | HTR2AHTR2CHTR2BADRB1HTR1A | |
| SCHEMBL9528729 | 0.74 | HTR2A (0.44) | HTR2AHTR2CHTR2BADRB1HTR1A | |
| Hydrochloric Acid SCHEMBL6087398 | 0.72 | HTR2A (0.76) | HTR2AHTR2CHTR2B | |
| SCHEMBL329884 | 0.71 | HTR2C (0.51) | HTR2CGRIN2DGRIN3BGRIN1GRIN2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330360-B1 | 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists | SMITHKLINE BEECHAM FARMA (IT) | 1993-12-01 | — | — | EP | disclosed |
| US-4954509-A | Isoquinoline derivatives and their use as analgesics | DR. LO. ZAMBELETTI S.P.A. (IT) | 1990-09-04 | — | — | US | disclosed |